Data quality metrics extracted from 8iat.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "645e8cb35a73f7f8ac2823da133c6397",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 212.051,
    "b": 118.353,
    "c": 99.820,
    "alpha": 90.00,
    "beta": 108.93,
    "gamma": 90.00
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.30,1.8],
    "number_observations_unique": 215295,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09
      },
      {
        "type": "R(meas)",
        "value": 0.09699999999999999
      },
      {
        "type": "I/SigI",
        "value": 10.84
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 6.96
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.91,1.80],
      "number_observations_unique": 34449,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8690000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.9390000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.873
        }
      ]
    },
    {
      "resolution_limits": [2.04,1.91],
      "number_observations_unique": 32674,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.48100000000000004
        },
        {
          "type": "R(meas)",
          "value": 0.521
        },
        {
          "type": "CC(1/2)",
          "value": 0.948
        }
      ]
    },
    {
      "resolution_limits": [2.2,2.04],
      "number_observations_unique": 30416,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.278
        },
        {
          "type": "R(meas)",
          "value": 0.299
        },
        {
          "type": "CC(1/2)",
          "value": 0.98
        }
      ]
    },
    {
      "resolution_limits": [2.41,2.20],
      "number_observations_unique": 28025,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.16699999999999998
        },
        {
          "type": "R(meas)",
          "value": 0.18100000000000002
        },
        {
          "type": "CC(1/2)",
          "value": 0.9890000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.41],
      "number_observations_unique": 25387,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        },
        {
          "type": "R(meas)",
          "value": 0.134
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    },
    {
      "resolution_limits": [3.11,2.69],
      "number_observations_unique": 22380,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "R(meas)",
          "value": 0.10400000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.81,3.11],
      "number_observations_unique": 18973,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "R(meas)",
          "value": 0.084
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [5.36,3.81],
      "number_observations_unique": 14712,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07200000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.078
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [48.30,5.36],
      "number_observations_unique": 8279,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):